![(8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one structure](/static/products/800/80082-66-2.png)
(8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
TL;DR: (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (CAS 80082-66-2) is a chemical compound with molecular formula C20H25NO5 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, (8S,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,, (8S,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C20H25NO5 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.17328 |
| Heavy Atoms | 26 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 80082-66-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4[N+](=O)[O-])OCCO |
| InChIKey | LHXXLCRYWVMSTM-NKSTXHLWSA-N |
Product Overview
(8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (CAS 80082-66-2), with molecular formula C20H25NO5 and molecular weight 359.17 g/mol. IUPAC: (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Property Insights of (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. Following Lipinski's Rule of Five, (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
The CAS number of (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is 80082-66-2.
What is the molecular formula of (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
The molecular formula of (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is C20H25NO5.
What is the molecular weight of (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
The molecular weight of (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is 359.17 g/mol.
Where can I buy (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
You can request a quote for (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
Yes, KEHONG BIO provides custom synthesis services for (8R,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.